AG001Q3R

1583-65-9 | 1,3-Benzenedicarboxylic acid, 2-fluoro-

AG001Q3R

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CAS Number	1583-65-9
Catalog Number	AG001Q3R(AGN-PC-0KLEEV)
Chemical Name	1,3-Benzenedicarboxylic acid, 2-fluoro-
IUPAC Name	2-fluorobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H5FO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	DWOLBEJAJWCIGK-UHFFFAOYSA-N
MDL Number	MFCD00042505
Molecular Formula	C8H5FO4
Molecular Weight	184.1213
SMILES	FC1=C(C(=O)O)C=CC=C1C(=O)O
Synonyms	2-fluoroisophthalic acid, 1583-65-9, 2-fluorobenzene-1,3-dicarboxylic acid, 2-fluoro-isophthalic acid, 1,3-Benzenedicarboxylic acid, 2-fluoro-, AK120543, Maybridge3_001062, ACMC-20dzf9, AC1MD4OR, AC1Q73JY, SCHEMBL336107, CTK4C9671, DTXSID90384462, DWOLBEJAJWCIGK-UHFFFAOYSA-N, HMS1434A06, ZINC141849, KS-000004KS, 7949AA, MFCD00042505, RW3510, AKOS016011487, 2-Fluoro-1,3-benzenedicarboxylic acid, AN-4289, DS-6215, FCH1162848, MCULE-5180649810, QC-2598, SB11999, TRA0015732, IDI1_012449, AJ-12444, AB0065563, AX8245959, RT-000051, CS-0051902, FT-0763179, C8H5FO4, CID2805671,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	184.122g/mol
Monoisotopic Mass	184.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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